2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine

C20H28FN5 — CID 112923684

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1cc(NCCC(C)C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H28FN5/c1-15(2)8-9-22-19-14-16(3)23-20(24-19)26-12-10-25(11-13-26)18-7-5-4-6-17(18)21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyHWLBLJREQWRESI-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 112923684) has the molecular formula C20H28FN5 and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID112923684
Molecular FormulaC20H28FN5
Molecular Weight357.48 g/mol
Exact Mass357.23
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCc1cc(NCCC(C)C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H28FN5/c1-15(2)8-9-22-19-14-16(3)23-20(24-19)26-12-10-25(11-13-26)18-7-5-4-6-17(18)21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKeyHWLBLJREQWRESI-UHFFFAOYSA-N
XLogP3.71
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
4-[4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914664
2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6-fluorobenzonitrile
CID 166601479
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321429
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine (CID 112923684) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine is Cc1cc(NCCC(C)C)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is HWLBLJREQWRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5/c1-15(2)8-9-22-19-14-16(3)23-20(24-19)26-12-10-25(11-13-26)18-7-5-4-6-17(18)21/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 112923684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).